Vitas-M small molecule compound
N-[2-(2-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-3-yl)ethyl]acetamide
Catalog ID
STL147805
SMILES C=CCN1C(=NC(=O)/C(=C/c2[nH]c3c(c2CCNC(=O)C)cccc3)/C1=O)S
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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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c1-3-10-24-19(27)15(18(26)23-20(24)28)11-17-14(8-9-21-12(2)25)13-6-4-5-7-16(13)22-17/h3-7,11,22H,1,8-10H2,2H3,(H,21,25)(H,23,26,28)/b15-11-InChIKey
SVHJGODPZHFZRP-PTNGSMBKSA-NSynonyms
C=CCN1C(=NC(=O)C(=Cc2(nH)c3c(c2CCNC(=O)C)cccc3)C1=O)S
CC(=O)NCCC1=C(NC2=CC=CC=C21)C=C3C(=O)NC(=S)N(C3=O)CC=C
InChI=1SC20H20N4O3Sc13102419(27)15(18(26)2320(24)28)111714(892112(2)25)13645716(13)2217h371122H1810H22H3(H2125)(H232628)b1511
MFCD04076058
N(2(2((Z)(46dioxo1(prop2en1yl)2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)1Hindol3yl)ethyl)acetamide
N(2(2((Z)(46DIOXO1PROP2ENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)1HINDOL3YL)ETHYL)ACETAMIDE
ZINC000005278091
ZINC05278091
ZINC5278091
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