Vitas-M small molecule compound

2-[2-(1,3-benzodioxol-5-yloxy)propanoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hydrazinecarbothioamide

Catalog ID
STK458456
SMILES COc1cc(CCNC(=S)NNC(=O)C(Oc2ccc3c(c2)OCO3)C)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 C21H25N3O6S MW 447.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O6S/c1-13(30-15-5-7-17-19(11-15)29-12-28-17)20(25)23-24-21(31)22-9-8-14-4-6-16(26-2)18(10-14)27-3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,23,25)(H2,22,24,31)
InChIKey
OHKTXVNTHQYQNJ-UHFFFAOYSA-N
Synonyms

1(2(13BENZODIOXOL5YLOXY)PROPANOYLAMINO)3(2(34DIMETHOXYPHENYL)ETHYL)THIOUREA
2((2S)2(13BENZODIOXOL5YLOXY)PROPANOYL)N(2(34DIMETHOXYPHENYL)ETHYL)HYDRAZINECARBOTHIOAMIDE
2(2(13benzodioxol5yloxy)propanoyl)N(2(34dimethoxyphenyl)ethyl)hydrazinecarbothioamide
2(2HBENZO(34D)13DIOXOLEN5YLOXY)N((((2(34DIMETHOXYPHENYL)ETHYL)AMINO)THIOXOMETHYL)AMINO)PROPANAMIDE
CC(C(=O)NNC(=S)NCCC1=CC(=C(C=C1)OC)OC)OC2=CC3=C(C=C2)OCO3
InChI=1SC21H25N3O6Sc113(3015571719(1115)29122817)20(25)232421(31)2298144616(262)18(1014)273h47101113H8912H213H3(H2325)(H2222431)
MFCD04137490
ZINC000002851639
ZINC000002851640

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Available files

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