Vitas-M small molecule compound

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide

Catalog ID
STK261247
SMILES C=CCn1c(nnc1c1cccnc1)SC(C(=O)Nc1nnc(s1)C)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 C16H17N7OS2 MW 387.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N7OS2/c1-4-8-23-13(12-6-5-7-17-9-12)20-22-16(23)25-10(2)14(24)18-15-21-19-11(3)26-15/h4-7,9-10H,1,8H2,2-3H3,(H,18,21,24)
InChIKey
JIPMNTNWCBUZTI-UHFFFAOYSA-N
Synonyms

CC1=NN=C(S1)NC(=O)C(C)SC2=NN=C(N2CC=C)C3=CN=CC=C3
InChI=1SC16H17N7OS2c1482313(1265717912)202216(23)2510(2)14(24)1815211911(3)2615h47910H18H223H3(H182124)
MFCD08685444
N(5methyl134thiadiazol2yl)2((4(prop2en1yl)5(pyridin3yl)4H124triazol3yl)sulfanyl)propanamide
N(5methyl134thiadiazol2yl)2((4prop2enyl5pyridin3yl124triazol3yl)sulfanyl)propanamide
ZINC000009426909
ZINC000009426910

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.