Vitas-M small molecule compound
ethyl 4-[({[4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK697286
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OCC)nnc1Cc1cccs1
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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 C21H22N4O3S2 MW 442.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S2/c1-3-11-25-18(13-17-6-5-12-29-17)23-24-21(25)30-14-19(26)22-16-9-7-15(8-10-16)20(27)28-4-2/h3,5-10,12H,1,4,11,13-14H2,2H3,(H,22,26)InChIKey
IWGCSJGRLLQWQD-UHFFFAOYSA-NSynonyms
900274-28-4900274284
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CC3=CC=CS3
ethyl4((((4(prop2en1yl)5(thiophen2ylmethyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
ETHYL4((2((4PROP2ENYL5(THIOPHEN2YLMETHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4(2((4(PROP2EN1YL)5(THIOPHEN2YLMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOATE
ethyl4(2((4allyl5(thiophen2ylmethyl)4H124triazol3yl)thio)acetamido)benzoate
ETHYL4(2(4PROP2ENYL5(2THIENYLMETHYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
InChI=1SC21H22N4O3S2c13112518(131765122917)232421(25)301419(26)22169715(81016)20(27)2842h351012H14111314H22H3(H2226)
MFCD06174288
ZINC000002363085
ZINC02363085
ZINC2363085
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