Vitas-M small molecule compound
methyl 2-{[({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}thiophene-3-carboxylate
Catalog ID
STK439855
SMILES C=CCn1c(SCC(=O)Nc2sccc2C(=O)OC)nnc1COc1ccc(cc1)Cl
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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 C20H19ClN4O4S2 MW 478.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN4O4S2/c1-3-9-25-16(11-29-14-6-4-13(21)5-7-14)23-24-20(25)31-12-17(26)22-18-15(8-10-30-18)19(27)28-2/h3-8,10H,1,9,11-12H2,2H3,(H,22,26)InChIKey
NAORRYBEMYUWFI-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC=C1)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=C(C=C3)Cl
InChI=1SC20H19ClN4O4S2c1392516(1129146413(21)5714)232420(25)311217(26)221815(8103018)19(27)282h3810H191112H22H3(H2226)
methyl2((((5((4chlorophenoxy)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
METHYL2((2((5((4CHLOROPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)THIOPHENE3CARBOXYLATE
METHYL2(2(5((4CHLOROPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YLTHIO)ACETYLAMINO)THIOPHENE3CARBOXYLATE
MFCD03946042
ZINC000020220955
ZINC20220955
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