Vitas-M small molecule compound
ethyl 2-{[({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL079674
SMILES C=CCn1c(SCC(=O)Nc2nc(c(s2)C(=O)OCC)C)nnc1Cc1csc(n1)N
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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 C18H21N7O3S3 MW 479.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N7O3S3/c1-4-6-25-12(7-11-8-29-16(19)21-11)23-24-18(25)30-9-13(26)22-17-20-10(3)14(31-17)15(27)28-5-2/h4,8H,1,5-7,9H2,2-3H3,(H2,19,21)(H,20,22,26)InChIKey
CPOMYUYXJUONGN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NN=C(N2CC=C)CC3=CSC(=N3)N)C
ETHYL2((((4ALLYL5((2AMINO13THIAZOL4YL)METHYL)4H124TRIAZOL3YL)THIO)ACETYL)AMINO)4METHYL13THIAZOLE5CARBOXYLATE
ethyl2((((5((2amino13thiazol4yl)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)4methyl13thiazole5carboxylate
ETHYL2((2((5((2AMINO13THIAZOL4YL)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)4METHYL13THIAZOLE5CARBOXYLATE
ETHYL2(2(5((2AMINO(13THIAZOL4YL))METHYL)4PROP2ENYL(124TRIAZOL3YLTHIO))ACETYLAMINO)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC18H21N7O3S3c1462512(71182916(19)2111)232418(25)30913(26)22172010(3)14(3117)15(27)2852h48H1579H223H3(H21921)(H202226)
MFCD05841202
ZINC000002586452
ZINC02586452
ZINC2586452
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