Vitas-M small molecule compound

3-methyl-N-[2-methyl-1-(4-methyl-5-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)propyl]benzamide

Catalog ID
STK140725
SMILES O=C(Nc1nccs1)CSc1nnc(n1C)C(C(C)C)NC(=O)c1cccc(c1)C

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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 C20H24N6O2S2 MW 444.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N6O2S2/c1-12(2)16(23-18(28)14-7-5-6-13(3)10-14)17-24-25-20(26(17)4)30-11-15(27)22-19-21-8-9-29-19/h5-10,12,16H,11H2,1-4H3,(H,23,28)(H,21,22,27)
InChIKey
CBRWHIYKNTVTAM-UHFFFAOYSA-N
Synonyms

3METHYLN((1R)2METHYL1(4METHYL5((2OXO2(13THIAZOL2YLAMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)PROPYL)BENZAMIDE
3METHYLN((1S)2METHYL1(4METHYL5((2OXO2(13THIAZOL2YLAMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)PROPYL)BENZAMIDE
3METHYLN(2METHYL1(4METHYL5((2OXO2(13THIAZOL2YLAMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)PROPYL)BENZAMIDE
3METHYLN(2METHYL1(4METHYL5(2OXO2(13THIAZOL2YLAMINO)ETHYL)SULFANYL124TRIAZOL3YL)PROPYL)BENZAMIDE
CC1=CC=CC(=C1)C(=O)NC(C2=NN=C(N2C)SCC(=O)NC3=NC=CS3)C(C)C
InChI=1SC20H24N6O2S2c112(2)16(2318(28)1475613(3)1014)17242520(26(17)4)301115(27)221921892919h5101216H11H214H3(H2328)(H212227)
MFCD03698831
ZINC000002142868
ZINC000002142871

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Available files

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