Vitas-M small molecule compound

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

Catalog ID
STK549710
SMILES COc1ccc(cc1)/C=C/C(=O)NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1

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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 C21H21N3O3S MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3S/c1-27-16-10-7-14(8-11-16)9-12-19(25)22-21(28)24-23-20(26)18-13-17(18)15-5-3-2-4-6-15/h2-12,17-18H,13H2,1H3,(H,23,26)(H2,22,24,25,28)/b12-9+/t17-,18+/m1/s1
InChIKey
PRKWZEMKCVOTJH-KQSNUMSTSA-N
Synonyms

(2E)3(4methoxyphenyl)N((2(((1S2S)2phenylcyclopropyl)carbonyl)hydrazinyl)carbonothioyl)prop2enamide
(E)3(4METHOXYPHENYL)N((((1S2S)2PHENYLCYCLOPROPANECARBONYL)AMINO)CARBAMOTHIOYL)PROP2ENAMIDE
(E)3(4methoxyphenyl)N(2((1S2S)2phenylcyclopropanecarbonyl)hydrazinecarbonothioyl)acrylamide
COC1=CC=C(C=C1)C=CC(=O)NC(=S)NNC(=O)C2CC2C3=CC=CC=C3
COc1ccc(cc1)C=CC(=O)NC(=S)NNC(=O)(C@H)1C(C@@H)1c1ccccc1
InChI=1SC21H21N3O3Sc1271610714(81116)91219(25)2221(28)242320(26)181317(18)155324615h2121718H13H21H3(H2326)(H222242528)b129+t1718+m1s1
MFCD18242488
ZINC000005025120
ZINC05025120
ZINC5025120

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Available files

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