Vitas-M small molecule compound

(2E)-3-(3,4-dimethoxyphenyl)-N-[(2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]prop-2-enamide

Catalog ID
STK551887
SMILES COc1cc(/C=C/C(=O)NC(=S)NNC(=O)[C@H]2C[C@@H]2c2ccccc2)ccc1OC

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C22H23N3O4S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O4S/c1-28-18-10-8-14(12-19(18)29-2)9-11-20(26)23-22(30)25-24-21(27)17-13-16(17)15-6-4-3-5-7-15/h3-12,16-17H,13H2,1-2H3,(H,24,27)(H2,23,25,26,30)/b11-9+/t16-,17+/m1/s1
InChIKey
CAVMJJOKKASCAE-IEPXPHTDSA-N
Synonyms

(2E)3(34dimethoxyphenyl)N((2(((1S2S)2phenylcyclopropyl)carbonyl)hydrazinyl)carbonothioyl)prop2enamide
(E)3(34DIMETHOXYPHENYL)N((((1S2S)2PHENYLCYCLOPROPANECARBONYL)AMINO)CARBAMOTHIOYL)PROP2ENAMIDE
(E)3(34DIMETHOXYPHENYL)N((((1S2S)2PHENYLCYCLOPROPANECARBONYL)AMINO)THIOCARBAMOYL)ACRYLAMIDE
(E)3(34DIMETHOXYPHENYL)N((((1S2S)2PHENYLCYCLOPROPYL)CARBONYLAMINO)CARBAMOTHIOYL)PROP2ENAMIDE
(E)3(34DIMETHOXYPHENYL)N(((OXO((1S2S)2PHENYLCYCLOPROPYL)METHYL)HYDRAZO)SULFANYLIDENEMETHYL)2PROPENAMIDE
(E)3(34dimethoxyphenyl)N(2((1S2S)2phenylcyclopropanecarbonyl)hydrazinecarbonothioyl)acrylamide
COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NNC(=O)C2CC2C3=CC=CC=C3)OC
COc1cc(C=CC(=O)NC(=S)NNC(=O)(C@H)2C(C@@H)2c2ccccc2)ccc1OC
InChI=1SC22H23N3O4Sc1281810814(1219(18)292)91120(26)2322(30)252421(27)171316(17)156435715h3121617H13H212H3(H2427)(H223252630)b119+t1617+m1s1
MFCD18242611
ZINC000009168016
ZINC09168016
ZINC9168016

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Available files

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