Vitas-M small molecule compound
N-[2-(2-{(Z)-[1-(butan-2-yl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-3-yl)ethyl]propanamide
Catalog ID
STL150904
SMILES CCC(=O)NCCc1c(/C=C\2/C(=O)N=C(N(C2=O)C(CC)C)S)[nH]c2c1cccc2
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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 C22H26N4O3S MW 426.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O3S/c1-4-13(3)26-21(29)16(20(28)25-22(26)30)12-18-15(10-11-23-19(27)5-2)14-8-6-7-9-17(14)24-18/h6-9,12-13,24H,4-5,10-11H2,1-3H3,(H,23,27)(H,25,28,30)/b16-12-InChIKey
DMMSJBWVRYFOOI-VBKFSLOCSA-NSynonyms
CCC(=O)NCCc1c(C=C2C(=O)N=C(N(C2=O)C(CC)C)S)(nH)c2c1cccc2
CCC(C)N1C(=O)C(=CC2=C(C3=CC=CC=C3N2)CCNC(=O)CC)C(=O)NC1=S
InChI=1SC22H26N4O3Sc1413(3)2621(29)16(20(28)2522(26)30)121815(10112319(27)52)14867917(14)2418h69121324H451011H213H3(H2327)(H252830)b1612
MFCD04077327
N(2(2((Z)(1(butan2yl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)1Hindol3yl)ethyl)propanamide
N(2(2((Z)(1BUTAN2YL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)1HINDOL3YL)ETHYL)PROPANAMIDE
ZINC000009281262
ZINC000009312733
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